SCHEMBL25567934

SCHEMBL25567934

N#Cc1ccc2c(c1)C1c3ccccc3C2c2cc(C#N)c(-c3cccc(-c4ccc5c6ccccc6c6ccccc6c5c4)c3)cc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLG P00747 1/20 0.35
PLAU P00749 1/20 0.35
MAP4K4 O95819 1/20 0.35
GABRA1 P14867 2/20 0.35
GABRG2 P18507 2/20 0.35
GABRB3 P28472 2/20 0.35
GABRA2 P47869 2/20 0.35
PRMT5 O14744 1/20 0.35
WDR77 Q9BQA1 1/20 0.35
ADRA2C P18825 1/20 0.34
NTRK1 P04629 2/20 0.33
PIK3CA P42336 1/20 0.33
STS P08842 1/20 0.33
ADORA2A P29274 1/20 0.33
CHEK1 O14757 1/20 0.32
PRKDC P78527 1/20 0.32
CYP1A2 P05177 3/20 0.31
CLK4 Q9HAZ1 3/20 0.31
CYP2C19 P33261 2/20 0.31
HSD17B10 Q99714 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL25567693 0.86 ALDH1A1 (0.31) ALDH1A1LMNA
SCHEMBL25568826 0.85 TNKS (0.38) PLGPLAUADRA2CPRKDCALDH1A1
SCHEMBL25567820 0.85 STS (0.39) GABRA1GABRG2GABRB3ADRA2CSTS
SCHEMBL25567927 0.82 CYP11B1 (0.39) GABRA1GABRG2GABRB3GABRA2CYP1A2
SCHEMBL25568073 0.82 NR3C1 (0.32) MAP4K4GABRA1GABRG2GABRB3GABRA2
SCHEMBL25568825 0.81 TNKS (0.40) STSPRKDCALDH1A1LMNA
SCHEMBL25567694 0.81 MEN1 (0.40) GABRA1GABRG2GABRB3GABRA2ADORA2A
SCHEMBL25567762 0.80 CA1 (0.33) GABRA1GABRG2GABRB3GABRA2ADRA2C
SCHEMBL25568068 0.80 CA1 (0.43) ALDH1A1CA1CA2LMNA
SCHEMBL25567824 0.79 STS (0.40) GABRA1GABRG2GABRB3STSPDK2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023094412-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2023-06-01 WO disclosed